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Fumaric acid, ethyl 4-(2-phenylpropyl-2)phenyl ester

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Fumaric acid, ethyl 4-(2-phenylpropyl-2)phenyl ester
SpectraBase Compound ID FzkKIsItenY
InChI InChI=1S/C21H22O4/c1-4-24-19(22)14-15-20(23)25-18-12-10-17(11-13-18)21(2,3)16-8-6-5-7-9-16/h5-15H,4H2,1-3H3/b15-14+
InChIKey WDBYVNVDSYJQCW-CCEZHUSRSA-N
Mol Weight 338.4 g/mol
Molecular Formula C21H22O4
Exact Mass 338.151809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 58Y7mvkI08o
Name Fumaric acid, ethyl 4-(2-phenylpropyl-2)phenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 338.151809184 u
Formula C21H22O4
InChI InChI=1S/C21H22O4/c1-4-24-19(22)14-15-20(23)25-18-12-10-17(11-13-18)21(2,3)16-8-6-5-7-9-16/h5-15H,4H2,1-3H3/b15-14+
InChIKey WDBYVNVDSYJQCW-CCEZHUSRSA-N
Molecular Weight 338.403 g/mol
SMILES CCOC(\C=C\C(OC1=CC=C(C(C2=CC=CC=C2)(C)C)C=C1)=O)=O